Optimised PDB entry 1al6



Warnings!

Structure
SpacegroupC 1 2 1
Cell dimensionsa: 104.430 Åb: 78.480 Åc: 58.450 Å
α: 90.00°β: 78.89°γ: 90.00°
Resolution1.85 Å

Experimental data
ReflectionsAll: 40735Test set: 0 (0.0%)
Resolution range23.15 Å1.72 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.15700.22300.15580.1544
R-freeNA0.23300.19350.1929
σR-free 0.00530.00440.0044
Z(R-free) 6.32-1.66-1.91

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality1-0.712-1.384-0.608
2nd generation packing quality1-0.908-1.034-0.466
Ramachandran plot appearance1-0.1820.0970.377
Chi-1/Chi-2 rotamer normality1-3.562-2.035-1.333
Backbone conformation10.0350.1970.239
Bond length RMS Z-score20.8070.8270.806
Bond angle RMS Z-score21.0760.9250.904
Total number of bumps3621616
Unsatisfied H-bond donors/acceptors3252323
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues37
Significantly deteriorated residues1
Changes of all residuesPlot

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